N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline

C44H30N4O — CID 59499440

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESc1ccc(-c2cccc(-c3noc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)c2)cc1
InChIInChI=1S/C44H30N4O/c1-3-12-31(13-4-1)33-14-11-15-34(30-33)43-45-44(49-46-43)32-22-24-36(25-23-32)47(35-16-5-2-6-17-35)37-26-28-38(29-27-37)48-41-20-9-7-18-39(41)40-19-8-10-21-42(40)48/h1-30H
InChIKeyMKPDQINSWUPVLV-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.64
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline

N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 59499440) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID59499440
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESc1ccc(-c2cccc(-c3noc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)c2)cc1
InChIInChI=1S/C44H30N4O/c1-3-12-31(13-4-1)33-14-11-15-34(30-33)43-45-44(49-46-43)32-22-24-36(25-23-32)47(35-16-5-2-6-17-35)37-26-28-38(29-27-37)48-41-20-9-7-18-39(41)40-19-8-10-21-42(40)48/h1-30H
InChIKeyMKPDQINSWUPVLV-UHFFFAOYSA-N
XLogP11.64
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diphenyl-9-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]carbazol-3-amine
CID 130354199
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline
CID 59499443
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 59499419
5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 59499409
5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
CID 141437647
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 59499440) is N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline is c1ccc(-c2cccc(-c3noc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is MKPDQINSWUPVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c1-3-12-31(13-4-1)33-14-11-15-34(30-33)43-45-44(49-46-43)32-22-24-36(25-23-32)47(35-16-5-2-6-17-35)37-26-28-38(29-27-37)48-41-20-9-7-18-39(41)40-19-8-10-21-42(40)48/h1-30H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 630.75 g/mol, XLogP of 11.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 59499440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).